>compound 2-Isopropylmalic acid_2-Isopropylmalic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C7H12O5
#smiles OC(=O)CC(O)(C(C)C)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100745.txt
>charge -1
>ionization [M-H]-
>parentmass 175.06067

>collision 5-60
85.0663 212.2
113.0605 194.7
115.0399 492.0
131.0718 42.6
157.051 47.22
175.0607 446.2

